(5E)-3-cyclohexyl-5-[(2,4-dihydroxyphenyl)methylidene]-1-methyl-2-selanylideneimidazolidin-4-one

C17H20N2O3Se — CID 168679486

IUPAC(5E)-3-cyclohexyl-5-[(2,4-dihydroxyphenyl)methylidene]-1-methyl-2-selanylideneimidazolidin-4-one
SMILESCN1C(=[Se])N(C2CCCCC2)C(=O)/C1=C\c1ccc(O)cc1O
InChIInChI=1S/C17H20N2O3Se/c1-18-14(9-11-7-8-13(20)10-15(11)21)16(22)19(17(18)23)12-5-3-2-4-6-12/h7-10,12,20-21H,2-6H2,1H3/b14-9+
InChIKeyKZQBYDBUIOXSAS-NTEUORMPSA-N
MW379.32 g/mol
LogP1.80
Rot. Bonds2

About (5E)-3-cyclohexyl-5-[(2,4-dihydroxyphenyl)methylidene]-1-methyl-2-selanylideneimidazolidin-4-one

(5E)-3-cyclohexyl-5-[(2,4-dihydroxyphenyl)methylidene]-1-methyl-2-selanylideneimidazolidin-4-one (PubChem CID 168679486) has the molecular formula C17H20N2O3Se and a molecular weight of 379.32 g/mol. Its IUPAC name is (5E)-3-cyclohexyl-5-[(2,4-dihydroxyphenyl)methylidene]-1-methyl-2-selanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-cyclohexyl-5-[(2,4-dihydroxyphenyl)methylidene]-1-methyl-2-selanylideneimidazolidin-4-one
PubChem CID168679486
Molecular FormulaC17H20N2O3Se
Molecular Weight379.32 g/mol
Exact Mass380.06
IUPAC Name(5E)-3-cyclohexyl-5-[(2,4-dihydroxyphenyl)methylidene]-1-methyl-2-selanylideneimidazolidin-4-one
SMILESCN1C(=[Se])N(C2CCCCC2)C(=O)/C1=C\c1ccc(O)cc1O
InChIInChI=1S/C17H20N2O3Se/c1-18-14(9-11-7-8-13(20)10-15(11)21)16(22)19(17(18)23)12-5-3-2-4-6-12/h7-10,12,20-21H,2-6H2,1H3/b14-9+
InChIKeyKZQBYDBUIOXSAS-NTEUORMPSA-N
XLogP1.80
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-3-cyclohexyl-5-[(2,4-dihydroxyphenyl)methylidene]-1-methyl-2-selanylideneimidazolidin-4-one?
The IUPAC name of (5E)-3-cyclohexyl-5-[(2,4-dihydroxyphenyl)methylidene]-1-methyl-2-selanylideneimidazolidin-4-one (CID 168679486) is (5E)-3-cyclohexyl-5-[(2,4-dihydroxyphenyl)methylidene]-1-methyl-2-selanylideneimidazolidin-4-one.
What is the SMILES notation for (5E)-3-cyclohexyl-5-[(2,4-dihydroxyphenyl)methylidene]-1-methyl-2-selanylideneimidazolidin-4-one?
The canonical SMILES for (5E)-3-cyclohexyl-5-[(2,4-dihydroxyphenyl)methylidene]-1-methyl-2-selanylideneimidazolidin-4-one is CN1C(=[Se])N(C2CCCCC2)C(=O)/C1=C\c1ccc(O)cc1O.
What is the InChIKey of (5E)-3-cyclohexyl-5-[(2,4-dihydroxyphenyl)methylidene]-1-methyl-2-selanylideneimidazolidin-4-one?
The InChIKey is KZQBYDBUIOXSAS-NTEUORMPSA-N. The full InChI is InChI=1S/C17H20N2O3Se/c1-18-14(9-11-7-8-13(20)10-15(11)21)16(22)19(17(18)23)12-5-3-2-4-6-12/h7-10,12,20-21H,2-6H2,1H3/b14-9+.
What are the key properties of (5E)-3-cyclohexyl-5-[(2,4-dihydroxyphenyl)methylidene]-1-methyl-2-selanylideneimidazolidin-4-one?
(5E)-3-cyclohexyl-5-[(2,4-dihydroxyphenyl)methylidene]-1-methyl-2-selanylideneimidazolidin-4-one has a molecular weight of 379.32 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-cyclohexyl-5-[(2,4-dihydroxyphenyl)methylidene]-1-methyl-2-selanylideneimidazolidin-4-one is sourced from PubChem (CID 168679486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).